[4-[(4-bromophenyl)methyl]piperazin-4-ium-1-yl]-(3,4,5-trimethoxyphenyl)methanone

Systemtic Name: [4-[(4-bromophenyl)methyl]piperazin-4-ium-1-yl]-(3,4,5-trimethoxyphenyl)methanone Openeye Name: [4-[(4-bromophenyl)methyl]piperazin-4-ium-1-yl]-(3,4,5-trimethoxyphenyl)methanone CAS Name: [4-[(4-bromophenyl)methyl]-1-piperazin-4-iumyl]-(3,4,5-trimethoxyphenyl)methanone IUPAC Name: [4-[(4-bromophenyl)methyl]piperazin-4-ium-1-yl]-(3,4,5-trimethoxyphenyl)methanone Traditional Name: [4-(4-bromobenzyl)piperazin-4-ium-1-yl]-(3,4,5-trimethoxyphenyl)methanone Formula: C21H26BrN2O4+ MolecularWeight: 450.34614

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)N2CC[NH+](CC2)CC3=CC=C(C=C3)Br

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)N2CC[NH+](CC2)CC3=CC=C(C=C3)Br

InChI

InChI=1S/C21H25BrN2O4/c1-26-18-12-16(13-19(27-2)20(18)28-3)21(25)24-10-8-23(9-11-24)14-15-4-6-17(22)7-5-15/h4-7,12-13H,8-11,14H2,1-3H3/p+1